5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8011-0880 |
| Compound Name: | 5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 337.49 |
| Molecular Formula: | C20 H23 N3 S |
| Smiles: | CC(C)Cc1ccc(cc1)C(C)c1nnc(n1c1ccccc1)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3931 |
| logD: | 4.1338 |
| logSw: | -5.6827 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4577 |
| InChI Key: | VGICELBGKHQNDQ-OAHLLOKOSA-N |